Cheminformatics proving ground

Category: polypharmacology

Molecular scaffold is a fundamental concept in medicinal chemistry. Perhaps nowhere this is more apparent than during early stage discovery, where scaffolds are the primary means by which medicinal ch...Read More

In a recent paper, Metz et al. describe a statistical framework for constructing the kinome polypharmacology network. Using a large kinase panel (i.e., more than 150,000 activity values across 172 kin...Read More